TL;DR: 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride (CAS 103125-02-6) is a chemical compound with molecular formula C10H11ClN2O2 and molecular weight 226.0509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazole;hydrochloride
Also Known As: K-4010, 2-(3,4-(Methylenedioxy)phenyl)-2-imidazoline hydrochloride, 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride, 2-Imidazoline, 2-(3,4-(methylenedioxy)phenyl)-, monohydrochloride, 2-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazole,hydrochloride
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.0509 g/mol |
| XLogP | 1.1869 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.0509 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | C1CN=C(N1)C2=CC3=C(C=C2)OCO3.Cl |
| InChIKey | WLVSDFGSVIVTPE-UHFFFAOYSA-N |
The XLogP value of 1.1869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride. With a topological polar surface area (TPSA) of 42.9 Ų, 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride is 103125-02-6.
The molecular formula of 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride is C10H11ClN2O2.
The molecular weight of 1H-Imidazole, 4,5-dihydro-2-(1,3-benzodioxol-5-yl)-, monohydrochloride is 226.0509 g/mol.
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